3-(azepan-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(azepan-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azepan-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azepanylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azepan-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azepan-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N3O3S/c23-16-19(10-18-7-3-1-2-4-8-18)17-15(22-16)12-5-6-13-14(9-12)21-11-20-13/h5-6,9H,1-4,7-8,10-11H2